methyl 4-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]butanoate CAS Name: 4-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]butanoate Traditional Name: 4-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]butyric acid methyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C18H26N2O5S/c1-25-17(21)10-7-11-19-18(22)15-8-6-9-16(14-15)26(23,24)20-12-4-2-3-5-13-20/h6,8-9,14H,2-5,7,10-13H2,1H3,(H,19,22)